N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-10-phenyl-decanamide

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-10-phenyl-decanamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-10-phenyl-decanamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-10-phenyldecanamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-10-phenyldecanamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-10-phenyl-capramide Formula: C34H43ClN5O+ MolecularWeight: 573.19112

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCCCCCCCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCCCCCCCCC5=CC=CC=C5

InChI

InChI=1S/C34H42ClN5O/c1-40(38-33(41)19-11-6-4-2-3-5-8-14-27-15-9-7-10-16-27)24-22-39(23-25-40)34-29-17-12-13-18-30(29)36-31-21-20-28(35)26-32(31)37-34/h7,9-10,12-13,15-18,20-21,26H,2-6,8,11,14,19,22-25H2,1H3,(H-,36,37,38,41)/p+1